SCHEMBL331420

SCHEMBL331420

O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 8/20 0.63
▸ P2RX1 P51575 4/20 0.53
▸ P2RX4 Q99571 3/20 0.53
▸ P2RX7 Q99572 3/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDR P35968 2/20 0.50
▸ SLC2A1 P11166 1/20 0.50
▸ IKBKB O14920 1/20 0.50
▸ CHUK O15111 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ MYLK Q15746 1/20 0.50
▸ MAP4K5 Q9Y4K4 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ MAPT P10636 3/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30771730 1.00 TMPRSS4 (0.63) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL330058 0.90 TMPRSS4 (0.67) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL30100391 0.87 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL18341401 0.87 TMPRSS4 (0.79) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL17407572 0.87 KMT2A (0.55) TMPRSS4MEN1KMT2AKDRKCNMA1
SCHEMBL20206206 0.86 TMPRSS4 (0.65) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL16147903 0.85 TMPRSS4 (0.60) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL331595 0.84 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL29367614 0.84 TMPRSS4 (0.73) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL20415511 0.83 KCNMA1 (0.66) TMPRSS4P2RX1P2RX4P2RX7SLC2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 — — US claimed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 — — US disclosed
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 — — WO disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 — — EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 — — US disclosed
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 — — CN disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 — — US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 — — US disclosed
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 — — CN disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 — — EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 — — EP disclosed
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 — — US disclosed
US-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 — — US disclosed
CN-1658855-A O-substituted hydroxyaryl derivatives INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 — — EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 — — EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 — — US disclosed
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 — — CN disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 TMPRSS4 14/4885P2RX1 2669/4885P2RX4 3287/4885
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA TMPRSS4 4278/4885P2RX1 2507/4885P2RX4 3900/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TMPRSS4 1813/4885P2RX1 1459/4885P2RX4 2669/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 TMPRSS4 3984/4885P2RX1 3644/4885P2RX4 4206/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB TMPRSS4 4204/4885P2RX1 4732/4885P2RX4 4831/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TMPRSS4 3292/4885P2RX1 2316/4885P2RX4 3466/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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